3VZS
Crystal structure of PhaB from Ralstonia eutropha in complex with Acetoacetyl-CoA and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.401, 123.445, 260.248 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.121 - 2.140 |
| R-factor | 0.1672 |
| Rwork | 0.165 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1I01 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.708 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 58459 | |
| <I/σ(I)> | 7.86 | |
| Completeness [%] | 96.9 | 98.7 |
| Redundancy | 5.6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 0.1M MES (pH 7.1), 1.6M ammonium sulfate, 10% 1,4-dioxane, 0.9mM NADP+, 0.9mM AcAcCoA, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
